SCHEMBL553203

SCHEMBL553203

CC1CCCN1Cc1ccc(B(O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15805381 0.72 ALDH1A1 (0.50) HRH3ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL20995291 0.72 ALDH1A1 (0.59) HRH3ALDH1A1KDM4EPOLBMAPT
SCHEMBL20995289 0.72 ALDH1A1 (0.59) HRH3ALDH1A1KDM4EPOLBMAPT
SCHEMBL6557590 0.68 HTT (0.47) HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL552144 0.67 HRH3 (0.41) HRH3ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL552041 0.66 TSHR (0.37) HRH3POLB
SCHEMBL27266438 0.66 HRH3 (0.67) HRH3ALDH1A1KDM4EPOLBMAPT
SCHEMBL13291354 0.65 ALDH1A1 (0.63) HRH3ALDH1A1KDM4EPOLBLTA4H
SCHEMBL1357166 0.65 ALDH1A1 (0.63) HRH3ALDH1A1KDM4EPOLBLTA4H
SCHEMBL3355426 0.65 ALDH1A1 (0.63) HRH3ALDH1A1KDM4EPOLBLTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA HRH3 568/4885ALDH1A1 2634/4885KDM4E 1113/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA HRH3 568/4885ALDH1A1 2634/4885KDM4E 1113/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.